CAS 183208-35-7 5-bromo-1H-pyrrolo[2,3-b]pyridine (HCID 10307932)

기본 정보

CAS: 183208-35-7
표준 SMILES: Brc1cnc2[nH]ccc2c1
InChIKey: LPTVWZSQAIDCEB-UHFFFAOYSA-N
분자식: C7H5BrN2
평균 분자량: 197.03 g/mol
단동위원소 질량: 195.96361026

이름 및 식별자

우선 이름: 5-bromo-1H-pyrrolo[2,3-b]pyridine
IUPAC: 5-bromo-1H-pyrrolo[2,3-b]pyridine
영어명: 5-Bromo-7-azaindole
분자식: C7H5BrN2
분자량: 197.03

이름 및 동의어

5-bromo-1H-pyrrolo[2,3-b]pyridine183208-35-71H-PYRROLO[2,3-B]PYRIDINE, 5-BROMO-5-Bromo-1H-pyrrolo(2,3-b)pyridine1H-Pyrrolo(2,3-b)pyridine, 5-bromo-EC 629-247-8RefChem:532891629-247-85-Bromo-7-azaindoleMFCD06659677C7H5BrN2DTXSID70437889

이름 더 보기

3-Bromo-7H-pyrrolo[2,3-b]pyridineSW-57SWF-57SKL277EOS-606615-BROMO AZAINDOLE5-bromo-7-azindole5-Bromo-7-azaindole,96%

5-bromo-1H-pyrrolo[2,3-b]-pyridineFG-0406HY-30012EN300-861755-bromopyrrolo[2,3-b]pyridineZ1696844476A1I835-bromo,7-azaindole

데이터베이스 식별자

CAS: 183208-35-7
PubChem CID: 10307932
DTXSID: DTXSID70437889
EC Number: 629-247-8
Nikkaji: J1.883.850H

물성

구조 계산 물성

XLogP: 2
극성 표면적: 28.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 129

물리화학적 성질

녹는점: 176 · 176-180 °C
끓는 점: 357.4 · 357.4±42.0 °C(Predicted)
밀도: 1.79 · 1.79±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 6.25 · 6.25±0.20(Predicted)
물리적 상태: 결정성 분말
색상: 흰색에서 노란색으로
InChI: InChI=1S/C7H5BrN2/c8-6-3-5-1-2-9-7(5)10-4-6/h1-4H,(H,9,10)
InChIKey: LPTVWZSQAIDCEB-UHFFFAOYSA-N
SMILES: C12NC=CC1=CC(Br)=CN=2
LogP: 1.8 at · 1.8 at 25℃ and pH7

화학적 성질

White to light brown powder or crystal

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 10.5% (6 of 57) of reports.

Danger

H302 (77.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 57 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Cease Manufacture Update: 06-06-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/6677

Hazard Classes and CategoriesAcute Tox. 4 (77.2%)

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 22-41
hazard_code: Xi,Xn
safety_code: 26-39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

개요5-Bromo-7-azaindole has important applications in drug synthesis and is often used as an intermediate in the synthesis of a variety of bioactive molecules, especially in the development of anti-tumor, anti-viral and neurological drugs. In addition, it can also be used in the research of fluorescent probes to help observe cellular processes in real time.

상·하류 제품 정보

상류 원료

아연 7-Azaindole tert-부틸알코올 삼불화붕소 디에틸 에테르 브롬 아세트산(빙초산)Manganese triacetate dihydrate 1H-Pyrrolo[2,3-b]pyridine, 5-bromo-1-[(1,1-dimethylethyl)dimethylsilyl]-Acetamide, N-[5-bromo-3-[2-(trimethylsilyl)ethynyl]-2-pyridinyl]-5-Bromo-1H-pyrrolo[2 , 3-b]pyridin-2(3H)-one 3,3,5-Tribromo-1H-pyrrolo[2,3-b]pyridin-2(3H)-one 2-아미노피롤

화합물 노트

불러오는 중…

5-bromo-1H-pyrrolo[2,3-b]pyridine